4L6S
PARP complexed with benzo[1,4]oxazin-3-one inhibitor
Entity
| Entity ID | Chain ID | Description | Type | Chain length | Formula weight | Number of molecules | DB Name (Accession) | Biological source | Descriptive keywords |
| 1 | A, B | Poly [ADP-ribose] polymerase 1 | polymer | 353 | 39495.2 | 2 | UniProt (P09874) Pfam (PF02877) Pfam (PF00644) In PDB | Homo sapiens (human) | PARP-1, ADP-ribosyltransferase diphtheria toxin-like 1, ARTD1, NAD(+) ADP-ribosyltransferase 1, ADPRT 1, Poly[ADP-ribose] synthase 1 |
| 2 | A, B | (2S)-6-{[4-(4-chlorophenyl)-3,6-dihydropyridin-1(2H)-yl]methyl}-2-methyl-2H-1,4-benzoxazin-3(4H)-one | non-polymer | 368.9 | 2 | Chemie (1WQ) | |||
| 3 | water | water | 18.0 | 297 | Chemie (HOH) |
Sequence modifications
A, B: 662 - 1011 (UniProt: P09874)
| PDB | External Database | Details |
|---|---|---|
| Gly 659 | - | expression tag |
| His 660 | - | expression tag |
| Met 661 | - | expression tag |
| Ala 762 | Val 762 | engineered mutation |
Sequence viewer
Contents of the asymmetric unit
| Polymers | Number of chains | 2 |
| Total formula weight | 78990.4 | |
| Non-Polymers* | Number of molecules | 2 |
| Total formula weight | 737.7 | |
| All* | Total formula weight | 79728.1 |
